Glycoside
GD025639
Name:
NoneFormula:
C18H14O4N6F6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 492.34 | Num_heavy_atoms: | 34 |
| TPSA: | 148.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD16979
Formula: C9H5ONF6
Smiles:
O=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.13 | Num_heavy_atoms: | 17 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
